[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid phthalimidomethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5/c1-13(2)18(23-19(25)15-10-8-14(3)9-11-15)22(28)29-12-24-20(26)16-6-4-5-7-17(16)21(24)27/h4-11,13,18H,12H2,1-3H3,(H,23,25)